MMsINC Database Search


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MMsINC code: MMs02058328

Type: Neutral
Formula: C₁₉H₁₅ClFNO₄S

SMILES:

Clc1ccc(S(=O)(=O)C(CNC(=O)c2ccc(F)cc2)c2occc2)cc1

InChI:

InChI=1/C19H15ClFNO4S/c20-14-5-9-16(10-6-14)27(24,25)18(17-2-1-11-26-17)12-22-19(23)13-3-7-15(21)8-4-13/h1-11,18H,12H2,(H,22,23)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6481 kcal/mol

Physical Properties
Molecular Weight: 407.849 g/mol	logS: -6.01478	SlogP: 4.1126	Reactive groups: 0

Topological Properties
Globularity: 0.0490594	Sterimol/B1: 2.52351	Sterimol/B2: 2.89859	Sterimol/B3: 4.91256
Sterimol/B4: 8.37986	Sterimol/L: 17.1731

Surface and Volume Properties
Accessible surface: 617.589	Positive charged surface: 268.381	Negative charged surface: 349.209	Volume: 342.875
Hydrophobic surface: 534.45	Hydrophilic surface: 83.139

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.